General Information of the Compound
| Compound ID |
CP0228347
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N6O2
|
||||||||||||||||||
| Molecular Weight |
444.539
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N6O2/c1-29(2)12-6-14-31-20-8-4-3-7-19(20)27-25(31)28-23(32)18-10-9-17-15-22-24(33)26-11-5-13-30(22)21(17)16-18/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,26,33)(H,27,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAKNBLVUBRXYQD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound